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- ChemComp-OXL: OXALATE ION -

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Basic information

EntryDatabase: PDB chemical components / ID: OXL
NameName: oxalate ion

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Chemical information

Composition
Formula: C2O4 / Number of atoms: 6 / Formula weight: 88.019 / Formal charge: -2
Others

1dwk

Type: NON-POLYMER / PDB classification: HETAI / Three letter code: OXL / Model coordinates PDB-ID: 1DWK
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEBI / GtoPharmacology / Metabolights / Nikkaji / PubChem / Rhea / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04[O-]C(=O)C([O-])=O
CACTVS 3.341[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]

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SMILES CANONICAL

CACTVS 3.341[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]

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InChI

InChI 1.03InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2

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InChIKey

InChI 1.03MUBZPKHOEPUJKR-UHFFFAOYSA-L

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SYSTEMATIC NAME

ACDLabs 10.04ethanedioate
OpenEye OEToolkits 1.5.0ethanedioate

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